4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide

C17H26N2O4 — CID 122151974

IUPAC4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
SMILESCC(C)(CO)ONC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)13-8-6-12(7-9-13)15(22)18-10-14(21)19-23-17(4,5)11-20/h6-9,20H,10-11H2,1-5H3,(H,18,22)(H,19,21)
InChIKeyVXLWLVUGIYTYDA-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.53
Rot. Bonds6

About 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide (PubChem CID 122151974) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
PubChem CID122151974
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
SMILESCC(C)(CO)ONC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)13-8-6-12(7-9-13)15(22)18-10-14(21)19-23-17(4,5)11-20/h6-9,20H,10-11H2,1-5H3,(H,18,22)(H,19,21)
InChIKeyVXLWLVUGIYTYDA-UHFFFAOYSA-N
XLogP1.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
cyanomethyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854521
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294
methyl 2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]pent-4-ynoate
CID 122152382
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854498
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492401
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide (CID 122151974) is 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide is CC(C)(CO)ONC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
The InChIKey is VXLWLVUGIYTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-16(2,3)13-8-6-12(7-9-13)15(22)18-10-14(21)19-23-17(4,5)11-20/h6-9,20H,10-11H2,1-5H3,(H,18,22)(H,19,21).
What are the key properties of 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 122151974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).